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Publications by Alexander Lyubartsev
Improved Sampling in Ab Initio-Based Free Energy Calculations of Amino Acids at Solid-Liquid Interfaces: A Tight-Binding Assessment on TiO2 Anatase (101)
Molecular Simulations of DNA Counterion Distributions
Related publications
Ab Initio Calculation of Tight-Binding Parameters
Materials Research Society Symposium - Proceedings
Mechanics of Materials
Materials Science
Condensed Matter Physics
Mechanical Engineering
Geometric Structure of Anatase TiO2(101)
Physical Review B
Optical
Electronic
Condensed Matter Physics
Magnetic Materials
Trellises of Molecular Oxygen on Anatase TiO2(101)
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
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Ab Initio Molecular Dynamics Calculations of Ion Hydration Free Energies
Journal of Chemical Physics
Medicine
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Integrating Ab Initio Simulations and Xray Photoelectron Spectroscopy: Toward a Realistic Description of Oxidized Solid/Liquid Interfaces
Ab Initio Calculations of Dilithiopropenes
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Improved Embedding Ab Initio Model Potentials for Embedded Cluster Calculations†
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Ultrafast Vibrational Energy Transfer in Catalytic Monolayers at Solid–Liquid Interfaces
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
Ab Initio Based Tight-Binding Molecular Dynamics Simulation of the Sticking and Scattering of O2∕Pt(111)
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
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